Account 3-(4-(((3R,4R)-1-(2-Cyanoacetyl)-4-methylpiperidin-3-yl)(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxopropanenitrile
- Catalog No. :
- ACXGTJ216
- CAS No. :
- 2459302-77-1
- Molecular Formula :
- C19H21N7O2
- Molecular Weight :
- 379.42
IUPAC Name:3-(4-(((3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl)(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxopropanenitrile
![3-(4-(((3R,4R)-1-(2-Cyanoacetyl)-4-methylpiperidin-3-yl)(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxopropanenitrile structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-(4-(((3R,4R)-1-(2-Cyanoacetyl)-4-methylpiperidin-3-yl)(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxopropanenitrile |
|---|---|
| IUPAC Name | 3-(4-(((3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl)(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxopropanenitrile |
| Molecular Formula | C19H21N7O2 |
| Molecular Weight | 379.42 |
| SMILES | N#CCC(N1C=CC2=C(N([C@H]3CN(C(CC#N)=O)CC[C@H]3C)C)N=CN=C21)=O |
| InChI Key | LAZWNGPGVVGBJZ-HIFRSBDPSA-N |
| Synonym | Tofacitinib N-Oxopropanenitrile;Tofacitinib N-Oxopropanenitrile. 7H-Pyrrolo[2,3-d]pyrimidine-7-propanenitrile, 4-[[(3R,4R)-1-(2-cyanoacetyl)-4-methyl-3-piperidinyl]methylamino]-β-oxo-;7H-Pyrrolo[2,3-d]pyrimidine-7-propanenitrile, 4-[[(3R,4R)-1-(2-cyanoacetyl)-4-methyl-3-piperidinyl]methylamino]-β-oxo- |
| CAS No. | 2459302-77-1 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H301-H311-H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACXGTJ216 Molecular Building Block Synthetic Route
1-(4-(((3R,4R)-1-Acetyl-4-methylpiperidin-3-yl)(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethan-1-one
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
3-((3R,4S)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile